2-Methylpropionic acid [(3aR,4R,6R,7S,9R,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl] ester
[CAS# 34367-14-1]

Identification

• Name: 2-Methylpropionic acid [(3aR,4R,6R,7S,9R,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl] ester
• Synonyms: Orizabin
• Molecular Formula: C₁₉H₂₆O₇
• Molecular Weight: 366.41
• CAS Registry Number: 34367-14-1
• SMILES: [C@@]\23(O[C@@](C[C@@H](OC(=O)C(C)C)[C@H]1C(=C)C(O[C@@H]1\C=C2C)=O)(C)[C@H](C3)O)O
• InChI: 1S/C19H26O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,9,12-15,20,23H,4,7-8H2,1-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1
• InChIKey: RHVYFOFKEZHFKR-GIKWLFIVSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 553.94°C at 760 mmHg (Cal.)
• Flash point: 195.624°C (Cal.)